Chemical Data Processing Library Python API - Version 1.1.1
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Public Member Functions | |
None | __init__ () |
Initializes the Entry instance. | |
None | __init__ (Entry entry) |
Initializes a copy of the Entry instance entry. More... | |
None | __init__ (int atomic_no1, int atomic_no2, float force_const, float ref_length) |
Initializes the Entry instance. More... | |
int | getObjectID () |
Returns the numeric identifier (ID) of the wrapped C++ class instance. More... | |
Entry | assign (Entry entry) |
Replaces the current state of self with a copy of the state of the Entry instance entry. More... | |
int | getAtomicNumber1 () |
int | getAtomicNumber2 () |
float | getForceConstant () |
float | getReferenceLength () |
bool | __nonzero__ () |
bool | __bool__ () |
Properties | |
objectID = property(getObjectID) | |
atomicNo1 = property(getAtomicNumber1) | |
atomicNo2 = property(getAtomicNumber2) | |
forceConstant = property(getForceConstant) | |
referenceLength = property(getReferenceLength) | |
None CDPL.ForceField.MMFF94BondStretchingRuleParameterTable.Entry.__init__ | ( | Entry | entry | ) |
Initializes a copy of the Entry instance entry.
entry | The Entry instance to copy. |
None CDPL.ForceField.MMFF94BondStretchingRuleParameterTable.Entry.__init__ | ( | int | atomic_no1, |
int | atomic_no2, | ||
float | force_const, | ||
float | ref_length | ||
) |
Initializes the Entry instance.
atomic_no1 | |
atomic_no2 | |
force_const | |
ref_length |
int CDPL.ForceField.MMFF94BondStretchingRuleParameterTable.Entry.getObjectID | ( | ) |
Returns the numeric identifier (ID) of the wrapped C++ class instance.
Different Python Entry instances may reference the same underlying C++ class instance. The commonly used Python expression a is not b
thus cannot tell reliably whether the two Entry instances a and b reference different C++ objects. The numeric identifier returned by this method allows to correctly implement such an identity test via the simple expression a.getObjectID() != b.getObjectID()
.
Replaces the current state of self with a copy of the state of the Entry instance entry.
entry | The Entry instance to copy. |
int CDPL.ForceField.MMFF94BondStretchingRuleParameterTable.Entry.getAtomicNumber1 | ( | ) |
int CDPL.ForceField.MMFF94BondStretchingRuleParameterTable.Entry.getAtomicNumber2 | ( | ) |
float CDPL.ForceField.MMFF94BondStretchingRuleParameterTable.Entry.getForceConstant | ( | ) |
float CDPL.ForceField.MMFF94BondStretchingRuleParameterTable.Entry.getReferenceLength | ( | ) |
bool CDPL.ForceField.MMFF94BondStretchingRuleParameterTable.Entry.__nonzero__ | ( | ) |
bool CDPL.ForceField.MMFF94BondStretchingRuleParameterTable.Entry.__bool__ | ( | ) |